General Information of the Compound
| Compound ID |
CP0146794
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| Compound Name |
3-[(1S)-1-[3-(2-methoxyethoxy)quinolin-6-yl]ethyl]-5-thiophen-2-yltriazolo[4,5-c]pyridin-4-one
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| Structure |
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| Formula |
C23H21N5O3S
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| Molecular Weight |
447.52
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| Canonical SMILES |
COCCOc1cnc2ccc(cc2c1)[C@H](C)n1nnc2ccn(-c3cccs3)c(=O)c12
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| InChI |
InChI=1S/C23H21N5O3S/c1-15(16-5-6-19-17(12-16)13-18(14-24-19)31-10-9-30-2)28-22-20(25-26-28)7-8-27(23(22)29)21-4-3-11-32-21/h3-8,11-15H,9-10H2,1-2H3/t15-/m0/s1
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| InChIKey |
SMJCNDZHMUKNNK-HNNXBMFYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound